#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsp n VAL 2 N 0.00 0.00 -0.67 0.00 3.14 -1.26 -5.14 118.33 114.40 2jsp n VAL 2 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 2jsp n VAL 2 Cb 0.00 0.00 0.17 0.00 -1.06 0.00 0.00 33.84 32.95 2jsp n VAL 2 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2jsp n ASN 3 N -2.25 -0.39 0.00 6.55 2.85 -1.26 -2.88 115.26 117.88 2jsp n ASN 3 Ca 0.00 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 2jsp n ASN 3 Cb 0.00 -1.39 0.00 0.00 1.24 0.00 0.00 39.78 39.63 2jsp n ASN 3 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 2jsp n VAL 4 N -4.24 0.00 -2.49 3.44 3.14 -1.26 -4.62 118.33 112.30 2jsp n VAL 4 Ca 0.10 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.22 2jsp n VAL 4 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 2jsp n VAL 4 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2jsp n GLU 5 N 0.00 3.22 0.00 1.45 0.28 -1.15 -4.73 120.64 119.72 2jsp n GLU 5 Ca 0.00 -4.39 0.00 0.00 -0.16 0.00 0.00 57.16 52.61 2jsp n GLU 5 Cb 0.00 -2.16 0.00 0.00 1.43 0.00 0.00 31.44 30.71 2jsp n GLU 5 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2jsp n LYS 6 N -0.45 0.00 -1.53 3.44 3.00 -1.14 -4.97 118.16 116.51 2jsp n LYS 6 Ca 0.36 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.49 2jsp n LYS 6 Cb 0.68 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.57 2jsp n LYS 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2jsp n GLN 7 N -1.74 0.33 -4.47 1.64 6.02 -1.26 -4.59 117.38 113.31 2jsp n GLN 7 Ca 0.00 -0.45 -0.26 0.00 -0.01 0.00 0.00 57.00 56.28 2jsp n GLN 7 Cb 0.00 -2.52 -0.13 0.00 1.02 0.00 0.00 30.24 28.60 2jsp n GLN 7 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2jsp s LYS 8 N 8.12 1.30 0.04 -1.09 1.02 -1.16 -4.81 119.74 123.16 2jsp s LYS 8 Ca 1.10 -1.10 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 2jsp s LYS 8 Cb -0.46 -1.53 -0.07 0.00 -0.52 0.00 0.00 37.83 35.25 2jsp s LYS 8 CO 0.30 0.37 1.56 -1.25 -0.92 0.00 0.00 175.35 175.42 2jsp s PRO 9 N -1.60 4.23 -0.71 -1.68 0.04 -1.26 -2.03 135.00 131.99 2jsp s PRO 9 Ca 0.08 2.20 -0.07 0.00 0.04 0.00 0.00 61.00 63.25 2jsp s PRO 9 Cb -0.10 -3.60 -0.11 0.00 0.04 0.00 0.00 34.50 30.74 2jsp s PRO 9 CO 0.03 -0.68 3.13 0.00 0.04 0.00 0.00 177.00 179.52 2jsp n ALA 10 N 5.56 6.79 -0.93 8.56 0.00 -1.26 -4.93 120.51 134.30 2jsp n ALA 10 Ca 0.15 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.78 2jsp n ALA 10 Cb 0.42 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.22 2jsp n ALA 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jsp n VAL 11 N 2.41 0.00 -3.99 0.00 0.31 -1.26 -4.73 118.33 111.07 2jsp n VAL 11 Ca 0.57 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.55 2jsp n VAL 11 Cb 0.57 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.42 2jsp n VAL 11 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2jsp s SER 12 N -4.00 5.80 0.00 4.52 0.15 -1.26 -5.06 113.70 113.84 2jsp s SER 12 Ca 0.00 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.83 2jsp s SER 12 Cb 0.00 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 2jsp s SER 12 CO 0.00 0.24 0.00 0.55 1.20 0.00 0.00 173.24 175.23 2jsp n VAL 13 N 3.08 0.00 0.00 4.45 3.14 -1.26 -4.46 118.33 123.28 2jsp n VAL 13 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 2jsp n VAL 13 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 2jsp n VAL 13 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2jsp n ARG 14 N 0.00 0.00 -1.29 1.45 0.63 -1.26 -0.88 116.66 115.31 2jsp n ARG 14 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 2jsp n ARG 14 Cb 0.00 0.00 0.06 0.00 0.45 0.00 0.00 32.46 32.97 2jsp n ARG 14 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2jsp n LYS 15 N 0.00 2.46 -0.12 -0.14 4.76 -1.26 -4.57 118.16 119.29 2jsp n LYS 15 Ca 0.00 -2.84 0.19 0.00 -2.87 0.00 0.00 58.31 52.79 2jsp n LYS 15 Cb 0.00 -2.11 0.60 0.00 -1.84 0.00 0.00 35.03 31.67 2jsp n LYS 15 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2jsp h SER 16 N 2.02 0.21 -3.24 4.39 0.02 -1.32 -3.37 113.55 112.26 2jsp h SER 16 Ca 0.52 0.01 -0.58 0.00 -0.84 0.00 0.00 61.79 60.91 2jsp h SER 16 Cb 0.75 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 63.20 2jsp h SER 16 CO 1.34 0.10 0.53 -0.69 -1.14 0.00 0.00 176.83 176.98 2jsp s VAL 17 N -5.22 4.81 0.00 2.27 1.01 -1.26 -2.93 120.40 119.07 2jsp s VAL 17 Ca -0.07 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.73 2jsp s VAL 17 Cb 0.21 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.37 2jsp s VAL 17 CO 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.82 2jsp n GLN 18 N 5.48 3.95 -2.08 2.72 6.02 -0.12 -5.04 117.38 128.32 2jsp n GLN 18 Ca 0.07 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.78 2jsp n GLN 18 Cb 0.48 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.68 2jsp n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jsp s ASP 19 N 0.87 5.08 -1.31 1.08 1.01 -1.26 -3.47 116.67 118.67 2jsp s ASP 19 Ca 0.00 -1.70 0.00 0.00 0.71 0.00 0.00 52.55 51.56 2jsp s ASP 19 Cb 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2jsp s ASP 19 CO 0.00 -3.03 0.00 0.47 0.21 0.00 0.00 175.17 172.82 2jsp n ASP 20 N 14.22 -4.44 -3.77 0.27 8.00 -1.26 -4.98 116.55 124.60 2jsp n ASP 20 Ca 0.45 0.16 -0.14 0.00 0.71 0.00 0.00 54.79 55.97 2jsp n ASP 20 Cb 0.47 -3.78 -0.15 0.00 -0.02 0.00 0.00 41.12 37.63 2jsp n ASP 20 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2jsp s HIS 21 N -2.68 -0.04 -0.16 1.24 -3.43 -1.23 -4.30 115.29 104.69 2jsp s HIS 21 Ca 0.00 0.24 -0.06 0.00 -0.80 0.00 0.00 55.06 54.45 2jsp s HIS 21 Cb 0.00 -0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 30.94 2jsp s HIS 21 CO 0.00 -0.11 0.02 -1.50 -2.00 0.00 0.00 174.74 171.15 2jsp s ILE 22 N 1.03 4.43 -0.12 -5.38 2.07 0.13 -0.94 121.20 122.43 2jsp s ILE 22 Ca -0.08 -0.17 -0.22 0.00 -1.41 0.00 0.00 60.65 58.77 2jsp s ILE 22 Cb -0.12 -2.96 -0.03 0.00 0.13 0.00 0.00 42.46 39.48 2jsp s ILE 22 CO -0.04 0.49 0.66 0.54 -1.91 0.00 0.00 174.94 174.69 2jsp s VAL 23 N 0.22 5.04 -0.56 4.00 0.11 -1.15 -1.84 120.40 126.22 2jsp s VAL 23 Ca 0.01 1.33 -0.28 0.00 -2.93 0.00 0.00 61.98 60.12 2jsp s VAL 23 Cb -0.13 -3.99 0.01 0.00 -1.53 0.00 0.00 36.38 30.73 2jsp s VAL 23 CO 0.01 0.21 1.51 0.00 -3.33 0.00 0.00 175.10 173.50 2jsp n LEU 25 N 10.12 4.90 -1.53 0.00 7.99 -1.26 0.20 117.00 137.42 2jsp n LEU 25 Ca 0.14 1.08 -0.19 0.00 -0.01 0.00 0.00 56.01 57.03 2jsp n LEU 25 Cb 0.49 -1.57 -0.08 0.00 -0.11 0.00 0.00 43.42 42.15 2jsp n LEU 25 CO 0.71 -0.40 -0.18 1.21 -1.51 0.00 0.00 177.39 177.21 2jsp n GLU 26 N -0.32 -1.46 0.12 3.23 2.13 -1.06 -4.58 120.64 118.71 2jsp n GLU 26 Ca 0.07 1.16 0.00 0.00 0.66 0.00 0.00 57.16 59.05 2jsp n GLU 26 Cb 0.42 -5.53 0.00 0.00 0.27 0.00 0.00 31.44 26.59 2jsp n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2jsp n GLY 28 N 1.59 3.17 3.61 0.00 0.00 0.13 -3.00 105.19 110.68 2jsp n GLY 28 Ca 0.00 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 2jsp n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jsp n GLY 29 N 0.00 -0.34 3.34 -0.02 0.00 -1.26 -4.27 105.19 102.65 2jsp n GLY 29 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 2jsp n GLY 29 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jsp s SER 30 N -1.03 2.92 0.19 1.61 0.15 -1.26 -0.51 113.70 115.76 2jsp s SER 30 Ca 0.70 -0.76 -0.24 0.00 0.70 0.00 0.00 55.95 56.35 2jsp s SER 30 Cb -0.47 -0.18 0.05 0.00 -1.71 0.00 0.00 66.02 63.71 2jsp s SER 30 CO 0.52 0.09 0.91 0.72 1.20 0.00 0.00 173.24 176.67 2jsp s PHE 31 N -1.35 -0.13 0.28 3.44 -0.12 -0.77 -4.92 117.98 114.41 2jsp s PHE 31 Ca 0.12 -0.22 -0.02 0.00 -0.05 0.00 0.00 56.93 56.76 2jsp s PHE 31 Cb -0.09 0.66 0.38 0.00 -0.63 0.00 0.00 43.02 43.34 2jsp s PHE 31 CO 0.06 -0.93 1.87 1.57 -0.05 0.00 0.00 175.22 177.73 2jsp h LYS 32 N 2.00 0.97 -3.65 1.99 -0.00 -1.85 0.38 116.57 116.41 2jsp h LYS 32 Ca -0.23 -0.14 -0.54 0.00 -0.00 0.00 0.00 60.65 59.73 2jsp h LYS 32 Cb 1.23 -0.17 -0.40 0.00 -0.00 0.00 0.00 32.23 32.89 2jsp h LYS 32 CO 0.25 0.77 -0.77 0.45 -0.00 0.00 0.00 179.45 180.16 2jsp s SER 33 N -6.45 3.25 0.11 7.07 0.15 -1.26 -1.79 113.70 114.77 2jsp s SER 33 Ca -0.11 -1.02 -0.12 0.00 0.70 0.00 0.00 55.95 55.40 2jsp s SER 33 Cb 0.16 -0.72 -0.13 0.00 -1.71 0.00 0.00 66.02 63.62 2jsp s SER 33 CO 0.80 -0.32 1.35 0.25 1.20 0.00 0.00 173.24 176.53 2jsp h LEU 34 N 8.18 0.97 -0.52 3.45 6.46 -1.59 -3.39 115.31 128.88 2jsp h LEU 34 Ca -0.16 -0.59 0.10 0.00 -0.12 0.00 0.00 57.88 57.11 2jsp h LEU 34 Cb 1.09 -0.28 -0.11 0.00 -0.73 0.00 0.00 40.66 40.63 2jsp h LEU 34 CO 0.37 1.39 -0.28 0.50 -0.62 0.00 0.00 178.44 179.80 2jsp h LYS 35 N 0.60 -0.15 0.69 1.25 3.64 -1.32 0.27 116.57 121.56 2jsp h LYS 35 Ca -0.02 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2jsp h LYS 35 Cb 1.30 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2jsp h LYS 35 CO 0.14 -0.10 -0.33 -0.09 -2.27 0.00 0.00 179.45 176.80 2jsp h ARG 36 N -0.16 -0.90 -0.85 1.90 2.43 -1.88 -0.37 114.38 114.56 2jsp h ARG 36 Ca 0.23 0.06 0.18 0.00 -0.81 0.00 0.00 59.98 59.64 2jsp h ARG 36 Cb 0.52 0.20 -0.16 0.00 -0.42 0.00 0.00 29.97 30.11 2jsp h ARG 36 CO -0.61 -0.60 -0.16 1.25 -1.51 0.00 0.00 179.97 178.35 2jsp h HIS 37 N -0.97 -0.35 0.05 2.20 2.76 -1.68 0.16 115.15 117.32 2jsp h HIS 37 Ca -0.10 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2jsp h HIS 37 Cb 0.71 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.95 2jsp h HIS 37 CO 0.06 -0.36 -0.13 1.25 -1.30 0.00 0.00 177.93 177.45 2jsp h LEU 38 N 0.02 -0.39 -1.92 0.26 7.12 -0.14 0.18 115.31 120.44 2jsp h LEU 38 Ca 0.43 0.04 0.08 0.00 0.13 0.00 0.00 57.88 58.56 2jsp h LEU 38 Cb 0.71 0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.96 2jsp h LEU 38 CO -0.85 -0.15 0.25 0.74 -0.13 0.00 0.00 178.44 178.30 2jsp h THR 39 N -0.20 0.87 0.50 1.05 2.02 -0.26 0.62 112.91 117.50 2jsp h THR 39 Ca -0.01 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2jsp h THR 39 Cb 0.20 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2jsp h THR 39 CO -0.06 0.02 -0.24 0.74 0.37 0.00 0.00 175.52 176.35 2jsp h THR 40 N 0.09 0.00 0.00 3.16 2.02 -0.52 -3.30 112.91 114.36 2jsp h THR 40 Ca 0.16 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2jsp h THR 40 Cb 0.53 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2jsp h THR 40 CO -0.02 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.28 2jsp n HIS 41 N -4.88 0.00 0.31 3.16 8.25 0.62 -4.39 115.22 118.29 2jsp n HIS 41 Ca -0.08 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.56 2jsp n HIS 41 Cb 0.26 -0.06 0.97 0.00 1.12 0.00 0.00 29.99 32.29 2jsp n HIS 41 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2jsp h HIS 42 N 0.00 0.00 -1.19 4.41 -0.00 -1.63 -3.49 115.15 113.24 2jsp h HIS 42 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2jsp h HIS 42 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2jsp h HIS 42 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.93 178.36 2jsp n SER 43 N -3.11 -3.58 -0.64 2.45 7.64 0.21 -4.93 113.62 111.66 2jsp n SER 43 Ca -0.02 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.94 2jsp n SER 43 Cb 0.26 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.42 2jsp n SER 43 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2jsp n MET 44 N -1.08 -1.42 -2.60 1.43 2.81 -1.26 -3.56 117.12 111.44 2jsp n MET 44 Ca 0.00 1.10 -0.34 0.00 -1.81 0.00 0.00 57.70 56.64 2jsp n MET 44 Cb 0.00 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 30.79 2jsp n MET 44 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jsp s THR 45 N -2.90 3.90 0.19 2.03 -4.23 -1.26 -3.80 115.64 109.57 2jsp s THR 45 Ca 0.00 1.23 -0.11 0.00 -1.18 0.00 0.00 61.69 61.62 2jsp s THR 45 Cb 0.00 -3.52 0.11 0.00 1.34 0.00 0.00 72.50 70.43 2jsp s THR 45 CO 0.00 -0.21 1.76 1.55 -0.54 0.00 0.00 174.62 177.18 2jsp h PRO 46 N 1.80 0.41 -0.53 3.99 0.13 -1.90 -0.22 132.00 135.68 2jsp h PRO 46 Ca -0.49 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 2jsp h PRO 46 Cb 1.21 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2jsp h PRO 46 CO 0.60 0.27 0.07 0.93 -0.23 0.00 0.00 178.00 179.65 2jsp h GLU 47 N 0.43 0.88 -0.63 0.86 5.08 -1.92 -1.26 114.58 118.01 2jsp h GLU 47 Ca 0.26 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2jsp h GLU 47 Cb 0.26 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2jsp h GLU 47 CO -0.24 0.87 0.21 1.49 -1.00 0.00 0.00 179.01 180.34 2jsp h GLU 48 N 0.76 0.94 -0.88 2.33 4.57 -1.84 -1.97 114.58 118.50 2jsp h GLU 48 Ca 0.16 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2jsp h GLU 48 Cb 0.42 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.82 2jsp h GLU 48 CO 0.01 0.80 0.51 -0.92 -1.18 0.00 0.00 179.01 178.23 2jsp h TYR 49 N 0.92 1.17 -0.32 0.92 3.20 -0.85 -2.17 116.97 119.84 2jsp h TYR 49 Ca 0.21 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.12 2jsp h TYR 49 Cb 0.24 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2jsp h TYR 49 CO 0.02 0.79 0.22 0.07 -1.64 0.00 0.00 178.16 177.62 2jsp h ARG 50 N 1.22 0.19 -0.65 1.82 -0.00 -0.44 -2.73 114.38 113.79 2jsp h ARG 50 Ca 0.31 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.98 60.26 2jsp h ARG 50 Cb -0.02 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 29.88 2jsp h ARG 50 CO -0.06 0.13 0.31 1.05 -0.00 0.00 0.00 179.97 181.41 2jsp h GLU 51 N 0.20 0.94 -0.31 0.08 4.11 -1.26 0.05 114.58 118.39 2jsp h GLU 51 Ca 0.14 -0.14 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 2jsp h GLU 51 Cb 0.32 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2jsp h GLU 51 CO -0.02 0.75 -0.00 1.57 0.07 0.00 0.00 179.01 181.37 2jsp h LYS 52 N 0.90 0.48 -0.01 1.06 2.10 -1.55 -0.37 116.57 119.18 2jsp h LYS 52 Ca 0.22 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2jsp h LYS 52 Cb 0.12 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2jsp h LYS 52 CO -0.03 0.50 -0.09 0.91 -2.00 0.00 0.00 179.45 178.75 2jsp n TRP 53 N -4.30 0.00 -2.53 0.07 7.02 -1.09 -4.96 117.44 111.65 2jsp n TRP 53 Ca 0.01 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.32 2jsp n TRP 53 Cb 0.23 -0.06 -0.00 0.00 -2.42 0.00 0.00 31.31 29.06 2jsp n TRP 53 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2jsp n ASP 54 N -0.29 -4.84 -4.60 -0.99 8.00 -0.15 -4.85 116.55 108.83 2jsp n ASP 54 Ca 0.17 0.04 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 2jsp n ASP 54 Cb 0.33 -4.05 -0.03 0.00 -0.02 0.00 0.00 41.12 37.35 2jsp n ASP 54 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2jsp s LEU 55 N -5.92 3.45 0.63 0.64 2.96 -0.14 -4.92 118.68 115.38 2jsp s LEU 55 Ca 0.05 1.70 -0.18 0.00 -0.22 0.00 0.00 54.13 55.48 2jsp s LEU 55 Cb -0.02 -3.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 2jsp s LEU 55 CO 0.06 -1.92 1.12 -0.81 -1.32 0.00 0.00 176.35 173.48 2jsp n PRO 56 N 8.68 0.97 -1.84 0.98 -0.04 -1.26 -2.31 135.00 140.19 2jsp n PRO 56 Ca 0.28 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.99 2jsp n PRO 56 Cb 0.46 -2.34 -0.04 0.00 -0.04 0.00 0.00 33.50 31.54 2jsp n PRO 56 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2jsp n VAL 57 N -1.87 -0.27 -2.88 0.52 3.14 -1.26 -1.84 118.33 113.86 2jsp n VAL 57 Ca 0.15 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.37 2jsp n VAL 57 Cb 0.48 -1.57 -0.01 0.00 -1.06 0.00 0.00 33.84 31.69 2jsp n VAL 57 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2jsp n ASP 58 N -1.09 -3.35 0.00 6.55 5.68 -0.98 -4.78 116.55 118.59 2jsp n ASP 58 Ca -0.15 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.11 2jsp n ASP 58 Cb 0.52 -2.83 0.00 0.00 -1.14 0.00 0.00 41.12 37.67 2jsp n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jsp n TYR 59 N -3.50 0.00 -2.04 2.11 9.36 -0.77 -4.83 117.16 117.49 2jsp n TYR 59 Ca -0.06 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.75 2jsp n TYR 59 Cb 0.56 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.25 2jsp n TYR 59 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2jsp s PRO 60 N 0.00 4.29 -0.19 2.98 0.04 -1.26 -4.92 135.00 135.94 2jsp s PRO 60 Ca 0.00 2.29 -0.00 0.00 0.04 0.00 0.00 61.00 63.33 2jsp s PRO 60 Cb 0.00 -3.08 0.17 0.00 0.04 0.00 0.00 34.50 31.63 2jsp s PRO 60 CO 0.00 -0.32 1.78 -1.33 0.04 0.00 0.00 177.00 177.17 2jsp n MET 61 N 1.39 1.50 -3.87 4.56 2.81 -1.26 -4.80 117.12 117.45 2jsp n MET 61 Ca 0.03 -1.03 -0.11 0.00 -1.81 0.00 0.00 57.70 54.78 2jsp n MET 61 Cb 0.41 -1.40 -0.09 0.00 -0.71 0.00 0.00 33.22 31.42 2jsp n MET 61 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2jsp s VAL 62 N -1.39 0.10 0.30 2.03 1.01 -1.26 -0.74 120.40 120.45 2jsp s VAL 62 Ca 0.20 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 61.12 2jsp s VAL 62 Cb 0.16 -0.67 -0.16 0.00 0.00 0.00 0.00 36.38 35.71 2jsp s VAL 62 CO 0.01 -0.44 0.37 0.00 0.00 0.00 0.00 175.10 175.04 2jsp n ALA 63 N 1.09 -2.69 -0.30 5.51 0.00 -0.74 -4.84 120.51 118.54 2jsp n ALA 63 Ca -0.21 0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.63 2jsp n ALA 63 Cb 0.57 -1.59 0.29 0.00 0.00 0.00 0.00 19.45 18.72 2jsp n ALA 63 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2jsp h PRO 64 N 0.76 0.42 -1.11 0.00 0.13 -1.91 -0.98 132.00 129.30 2jsp h PRO 64 Ca -0.33 -0.02 -0.46 0.00 -0.87 0.00 0.00 66.00 64.31 2jsp h PRO 64 Cb 1.43 -0.09 -0.41 0.00 0.13 0.00 0.00 31.00 32.06 2jsp h PRO 64 CO 0.53 0.27 -0.95 0.00 -0.23 0.00 0.00 178.00 177.62 2jsp n ALA 65 N -2.50 4.20 -0.25 -0.56 0.00 -1.26 -4.99 120.51 115.16 2jsp n ALA 65 Ca 0.21 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.99 2jsp n ALA 65 Cb 0.61 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2jsp n ALA 65 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2jsp n TYR 66 N -0.38 0.00 -2.16 0.00 9.36 -0.37 -4.85 117.16 118.76 2jsp n TYR 66 Ca 0.26 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.46 2jsp n TYR 66 Cb 0.77 -0.38 0.01 0.00 -0.63 0.00 0.00 39.34 39.12 2jsp n TYR 66 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2jsp n ALA 67 N -1.74 -0.43 -3.87 2.98 0.00 -1.26 -5.10 120.51 111.09 2jsp n ALA 67 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 53.44 53.30 2jsp n ALA 67 Cb 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 19.45 19.02 2jsp n ALA 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jsp n GLU 68 N -0.24 0.53 -3.57 0.00 4.07 -1.26 -5.03 120.64 115.14 2jsp n GLU 68 Ca -0.06 -1.27 -0.25 0.00 -0.06 0.00 0.00 57.16 55.51 2jsp n GLU 68 Cb 0.50 1.77 0.05 0.00 -0.06 0.00 0.00 31.44 33.70 2jsp n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2jsp n ALA 69 N -0.92 -1.22 -1.62 4.31 0.00 -1.26 -4.89 120.51 114.91 2jsp n ALA 69 Ca -0.13 0.31 -0.37 0.00 0.00 0.00 0.00 53.44 53.25 2jsp n ALA 69 Cb 0.55 -4.78 -0.03 0.00 0.00 0.00 0.00 19.45 15.19 2jsp n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jsp s ARG 70 N -6.27 2.22 -0.23 0.00 0.52 -1.26 -3.29 118.95 110.63 2jsp s ARG 70 Ca 0.55 1.34 -0.02 0.00 -0.52 0.00 0.00 55.73 57.08 2jsp s ARG 70 Cb -0.26 -4.55 0.00 0.00 0.52 0.00 0.00 34.95 30.67 2jsp s ARG 70 CO 0.68 -3.15 0.05 0.45 0.02 0.00 0.00 175.30 173.35 2jsp n SER 71 N 15.30 -7.53 -2.35 0.23 2.88 -1.26 -3.04 113.62 117.85 2jsp n SER 71 Ca 0.34 1.04 -0.17 0.00 -1.33 0.00 0.00 58.87 58.74 2jsp n SER 71 Cb 0.54 -4.12 -0.01 0.00 -0.75 0.00 0.00 64.21 59.87 2jsp n SER 71 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jsp n ARG 72 N 0.80 -1.86 -1.30 -1.46 0.63 -1.26 -4.68 116.66 107.53 2jsp n ARG 72 Ca 0.00 0.86 0.13 0.00 -0.92 0.00 0.00 57.85 57.92 2jsp n ARG 72 Cb 0.20 -5.48 -0.07 0.00 0.45 0.00 0.00 32.46 27.56 2jsp n ARG 72 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2jsp n LEU 73 N -2.87 -0.90 -3.61 6.15 -0.00 -1.17 -4.98 117.00 109.61 2jsp n LEU 73 Ca -0.21 2.02 -0.28 0.00 -0.00 0.00 0.00 56.01 57.55 2jsp n LEU 73 Cb 0.65 -2.81 -0.16 0.00 -0.00 0.00 0.00 43.42 41.10 2jsp n LEU 73 CO 0.24 -1.64 -0.34 0.00 -0.00 0.00 0.00 177.39 175.66 2jsp s ALA 74 N -4.56 0.67 -0.66 1.47 0.00 -1.25 -4.85 121.76 112.56 2jsp s ALA 74 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 2jsp s ALA 74 Cb 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.92 2jsp s ALA 74 CO 0.00 -1.38 0.63 1.17 0.00 0.00 0.00 175.76 176.18 2jsp n LYS 75 N 5.20 -1.72 -2.70 0.00 4.81 -1.26 -4.93 118.16 117.56 2jsp n LYS 75 Ca -0.07 1.13 -0.07 0.00 -0.87 0.00 0.00 58.31 58.44 2jsp n LYS 75 Cb 0.46 -2.66 0.11 0.00 0.02 0.00 0.00 35.03 32.95 2jsp n LYS 75 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jsp n GLU 76 N -1.56 1.08 0.22 1.64 1.02 -1.26 -4.97 120.64 116.82 2jsp n GLU 76 Ca -0.19 -1.74 0.16 0.00 -0.02 0.00 0.00 57.16 55.37 2jsp n GLU 76 Cb 0.66 -0.19 0.70 0.00 -0.02 0.00 0.00 31.44 32.59 2jsp n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jsp h MET 77 N 2.09 0.00 0.00 3.49 -0.00 -2.03 -3.49 114.93 114.99 2jsp h MET 77 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.42 2jsp h MET 77 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.86 2jsp h MET 77 CO -0.05 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.27 2jsp n GLY 78 N -0.37 -0.67 1.26 -3.00 0.00 -1.26 -4.66 105.19 96.48 2jsp n GLY 78 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2jsp n GLY 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jsp n LEU 79 N 0.00 0.81 -2.74 0.99 7.99 -1.26 -5.10 117.00 117.68 2jsp n LEU 79 Ca 0.00 0.22 -0.08 0.00 -0.01 0.00 0.00 56.01 56.13 2jsp n LEU 79 Cb 0.00 -0.17 0.04 0.00 -0.11 0.00 0.00 43.42 43.18 2jsp n LEU 79 CO 0.00 -0.76 0.08 0.61 -1.51 0.00 0.00 177.39 175.80 2jsp n GLY 80 N 3.06 -0.69 2.21 -0.72 0.00 -1.26 -4.90 105.19 102.90 2jsp n GLY 80 Ca 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 2jsp n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jsp n GLN 81 N -2.48 2.30 -2.52 1.61 -0.00 -1.26 -4.77 117.38 110.26 2jsp n GLN 81 Ca -0.04 -1.63 -0.37 0.00 -0.00 0.00 0.00 57.00 54.96 2jsp n GLN 81 Cb 0.57 -2.11 -0.04 0.00 -0.00 0.00 0.00 30.24 28.66 2jsp n GLN 81 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2jsp s ARG 82 N -0.03 4.18 0.03 2.61 1.81 -1.26 -5.00 118.95 121.29 2jsp s ARG 82 Ca 0.64 1.55 0.07 0.00 -1.72 0.00 0.00 55.73 56.28 2jsp s ARG 82 Cb 0.33 -2.59 -0.23 0.00 -0.45 0.00 0.00 34.95 32.02 2jsp s ARG 82 CO -0.09 -0.14 0.94 0.07 -0.68 0.00 0.00 175.30 175.41 2jsp h ARG 83 N 2.58 0.05 -5.59 3.54 0.11 -1.98 -3.50 114.38 109.59 2jsp h ARG 83 Ca -0.48 -0.08 -0.09 0.00 0.10 0.00 0.00 59.98 59.43 2jsp h ARG 83 Cb 1.22 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.33 2jsp h ARG 83 CO 0.63 0.82 -0.73 1.17 0.10 0.00 0.00 179.97 181.95 2jsp n LYS 84 N -3.25 -2.34 -3.40 0.08 4.81 -1.26 -5.05 118.16 107.76 2jsp n LYS 84 Ca -0.10 2.00 -0.21 0.00 -0.87 0.00 0.00 58.31 59.13 2jsp n LYS 84 Cb 1.01 -4.68 -0.09 0.00 0.02 0.00 0.00 35.03 31.28 2jsp n LYS 84 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jsp s ALA 85 N -2.19 -0.02 -0.01 3.14 0.00 -1.26 -5.12 121.76 116.30 2jsp s ALA 85 Ca 0.24 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 51.04 2jsp s ALA 85 Cb -0.05 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.19 2jsp s ALA 85 CO 0.77 -2.08 -0.02 1.21 0.00 0.00 0.00 175.76 175.63 2jsp s ASN 86 N 1.43 0.36 0.00 0.00 3.84 -1.26 -5.26 114.94 114.05 2jsp s ASN 86 Ca 0.16 -0.05 0.00 0.00 0.21 0.00 0.00 52.86 53.19 2jsp s ASN 86 Cb -0.17 -0.08 0.00 0.00 -0.55 0.00 0.00 41.25 40.45 2jsp s ASN 86 CO -0.06 0.01 0.00 -2.11 -2.79 0.00 0.00 177.10 172.15